SCHEMBL177719

SCHEMBL177719

CC1(C)CCC(C)(C)c2cc(/C(=C/c3ccc(C(=O)O)s3)[Si](C)(C)C)ccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.73
RARG P13631 14/20 0.73
RARB P10826 12/20 0.73
RARA P10276 11/20 0.73
RXRB P28702 10/20 0.73
RXRG P48443 9/20 0.73
CYP26A1 O43174 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL177720 1.00 RXRA (0.73) RXRARARGRARBRARARXRB
SCHEMBL6263321 0.85 RXRA (0.74) RXRARARGRARBRARARXRB
SCHEMBL6263315 0.85 RXRA (0.74) RXRARARGRARBRARARXRB
SCHEMBL6428704 0.85 RARB (0.54) RXRARARGRARBRARARXRB
SCHEMBL4957909 0.83 RXRA (0.75) RXRARARGRARBRARARXRB
SCHEMBL4957907 0.83 RXRA (0.75) RXRARARGRARBRARARXRB
SCHEMBL6259440 0.81 RXRA (0.48) RXRARARGRARBRARARXRB
SCHEMBL6259442 0.81 RXRA (0.48) RXRARARGRARBRARARXRB
SCHEMBL6428716 0.81 RXRA (0.48) RXRARARGRARBRARARXRB
SCHEMBL6258870 0.80 RARB (0.70) RXRARARGRARBRARARXRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906057-B1 Methods for modulating FXR receptor activity ALLERGAN, INC. (US) 2005-06-14 US claimed
EP-2399575-A2 Methods, uses and compositions for treatment of an infection by a virus of the family of flaviviridae through the farnesoid X receptor (FXR) inhibition INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-12-28 EP disclosed
EP-2399988-A2 Cell culture system for replication of HCV through the farnesoid X receptor (FXR) activation or inhibition and diagnostic method for HCV infection INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-12-28 EP disclosed
US-20100172870-A1 METHODS, USES AND COMPOSITIONS FOR MODULATING REPLICATION OF HCV THROUGH THE FARNESOID X RECEPTOR (FXR) ACTIVATION OR INHIBITION INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2010-07-08 US disclosed
EP-2054065-A2 METHODS, USES AND COMPOSITIONS FOR MODULATING REPLICATION OF HCV THROUGH THE FARNESOID X RECEPTOR (FXR) ACTIVATION OR INHIBITION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2009-05-06 EP disclosed
US-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia MICROBIA, INC. (US) 2008-08-14 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
WO-2008017692-A2 METHODS, USES AND COMPOSITIONS FOR MODULATING REPLICATION OF HCV THROUGH THE FARNESOID X RECEPTOR (FXR) ACTIVATION OR INHIBITION INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2008-02-14 WO disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 EP disclosed
WO-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO disclosed
EP-1185277-B1 Use of FXR synthetic ligands for the treatment of diseseas linked to cholesterol imbalance and colon cancer ALLERGAN INC (US) 2005-10-26 EP disclosed
US-6906057-B1 Methods for modulating FXR receptor activity ALLERGAN, INC. (US) 2005-06-14 US disclosed
EP-1185539-B1 ORGANOSILYL COMPOUNDS HAVING NUCLEAR HORMONE RECEPTOR MODULATING ACTIVITY ALLERGAN INC (US) 2004-12-01 EP disclosed
US-6452032-B1 ANTAGONISTS, AGONISTS, OR INVERSE AGONISTS PARTICULARLY FOR RETINOID AND FARNESOID RECEPTORS; REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION AND OF LIPID METABOLISM; DERMATOSES SUCH AS ACNE, PSORIASIS, ICTHYOSIS AND ECZEMA ALLERGAN SALES, LLC 2002-09-17 US disclosed
EP-1185539-A1 ORGANOSILYL COMPOUNDS HAVING NUCLEAR HORMONE RECEPTOR MODULATING ACTIVITY Allergan Sales, Inc. (US) 2002-03-13 EP disclosed
EP-1185277-A1 METHODS FOR MODULATING FXR RECEPTOR ACTIVITY Allergan Sales, Inc. (US) 2002-03-13 EP disclosed
WO-2000076523-A1 METHODS FOR MODULATING FXR RECEPTOR ACTIVITY ALLERGAN SALES, INC. (US) 2000-12-21 WO disclosed
WO-2000077011-A1 ORGANOSILYL COMPOUNDS HAVING NUCLEAR HORMONE RECEPTOR MODULATING ACTIVITY ALLERGAN SALES, INC. (US) 2000-12-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 RXRA 1819/4885RARG 2458/4885RARB 3352/4885
US-20100172870-A1 METHODS, USES AND COMPOSITIONS FOR MODULATING REPLICATION OF HCV THROUGH THE FARNESOID X RECEPTOR (FXR) ACTIVATION OR INHIBITION FXR1, FXR2, NR1H4 RXRA 125/4885RARG 404/4885RARB 971/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.